3-Stearoyl-sn-glycerol
PubChem CID: 15560611
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| Compound Synonyms | 3-Stearoyl-sn-glycerol, 14811-92-8, [(2R)-2,3-dihydroxypropyl] octadecanoate, (2R)-2,3-dihydroxypropyl octadecanoate, CHEBI:75553, (R)-2,3-Dihydroxypropyl stearate, Octadecanoic acid, (2R)-2,3-dihydroxypropyl ester, ((2R)-2,3-dihydroxypropyl) octadecanoate, starbld0019123, sn-3-stearoyl monoglyceride, SCHEMBL2734288, VBICKXHEKHSIBG-HXUWFJFHSA-N, DTXSID701314441, MG (0:0/0:0/18:0), Q27145390 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(2R)-2,3-dihydroxypropyl] octadecanoate |
| Prediction Hob | 0.0 |
| Xlogp | 7.4 |
| Molecular Formula | C21H42O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VBICKXHEKHSIBG-HXUWFJFHSA-N |
| Fcsp3 | 0.9523809523809524 |
| Logs | -5.599 |
| Rotatable Bond Count | 20.0 |
| Logd | 3.888 |
| Compound Name | 3-Stearoyl-sn-glycerol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 358.308 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.308 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 358.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.411390600000001 |
| Inchi | InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3/t20-/m1/s1 |
| Smiles | CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Propinqua (Plant) Rel Props:Source_db:cmaup_ingredients